SCHEMBL6009568

SCHEMBL6009568

C=C[C@]1(O)CCC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]21C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
SOD1 P00441 1/20 0.38
ATM Q13315 1/20 0.38
POLA1 P09884 2/20 0.37
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
PTGS1 P23219 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12522489 1.00 HSP90AA1 (0.41) HSP90AA1MEN1KMT2APOLBSOD1
SCHEMBL280131 1.00 HSP90AA1 (0.41) HSP90AA1MEN1KMT2APOLBSOD1
SCHEMBL14401278 0.85 MEN1 (0.43) HSP90AA1MEN1KMT2APOLBSOD1
SCHEMBL267768 0.76 CYP3A4 (0.35) MEN1KMT2ACYP3A4MAPTALDH1A1
SCHEMBL279974 0.76 SOD1 (0.40) HSP90AA1MEN1KMT2APOLBSOD1
SCHEMBL12704658 0.76 SOD1 (0.40) HSP90AA1MEN1KMT2APOLBSOD1
SCHEMBL12872356 0.76 SOD1 (0.40) HSP90AA1MEN1KMT2APOLBSOD1
SCHEMBL280136 0.76 SOD1 (0.40) HSP90AA1MEN1KMT2APOLBSOD1
SCHEMBL280322 0.76 SOD1 (0.40) HSP90AA1MEN1KMT2APOLBSOD1
SCHEMBL6009321 0.75 SOD1 (0.37) HSP90AA1MEN1KMT2APOLBSOD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912932-B1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-A MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS NEREUS PHARMACEUTICALS INC (US) 2012-05-02 EP disclosed
US-7893299-B2 Acanthoic amide derivatives; inflammation, cancer, cachexia, cardiovascular disease, infections, diabetes, otitis media, sinusitis, transplant rejection NEREUS PHARMACEUTICALS, INC. (US) 2011-02-22 US disclosed
US-20080064753-A1 Interleukin-1 and tumor necrosis factor-alpha modulators; syntheses of such modulators and methods of using such modulators HENSLER, MARY 2008-03-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080064753-A1 Interleukin-1 and tumor necrosis factor-alpha modulators; syntheses of such modulators and methods of using such modulators IL1A, IL1B, TNF HSP90AA1 698/4885MEN1 54/4885KMT2A 4401/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.